SCHEMBL6995692

SCHEMBL6995692

O=C(O)NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
TP53 P04637 1/20 0.67
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
ALDH1A1 P00352 6/20 0.62
HPGD P15428 2/20 0.62
POLB P06746 2/20 0.60
MAPT P10636 2/20 0.60
BLM P54132 1/20 0.60
TSHR P16473 2/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11060904 0.91 KMT2A (0.73) KMT2AMEN1TP53CES2CES1
SCHEMBL11068063 0.90 KMT2A (0.74) KMT2AMEN1TP53CES2CES1
SCHEMBL8544673 0.85 ALDH1A1 (0.72) KMT2AMEN1TP53CES2CES1
SCHEMBL10355 0.85 KMT2A (0.69) KMT2AMEN1TP53CES2CES1
SCHEMBL29508878 0.83 KMT2A (0.71) KMT2AMEN1TP53CES2CES1
SCHEMBL297043 0.83 KMT2A (0.71) KMT2AMEN1TP53CES2CES1
Ammonia Solution, Strong SCHEMBL1734091 0.82 TP53 (0.96) KMT2AMEN1TP53CES2CES1
SCHEMBL11058692 0.82 GAA (0.68) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL11064012 0.81 CYP1A2 (0.70) KMT2AMEN1CES2CES1ALDH1A1
SCHEMBL4494074 0.81 KMT2A (0.69) KMT2AMEN1TP53CES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP claimed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US claimed
CN-112384517-A Heteroaryl compounds and uses thereof 新旭生技股份有限公司 2021-02-19 CN disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed